Defects in TiO<inf>2</inf> crystals

Defects in TiO<inf>2</inf> crystals

TiO<inf>2</inf> crystals, anatase and rutile, have been studied using Density Functional Theory (DFT) and the Generalized Gradient Approximation (GGA). Also, the intraatomic interaction term for strongly correlated d-electrons (DFT+U approximation) has been utilized for a proper descript...

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Autor principal: Stashans, A. (author)
Formato: article
Publicado em: 2013
Assuntos:
Acceptor-type defect
Impurity doping
Physical properties
Acesso em linha:http://dspace.utpl.edu.ec/handle/123456789/18855
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http://dspace.utpl.edu.ec/handle/123456789/18855

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